4-bromo-2-methylphenylboronic acid

4-bromo-2-methylphenylboronic acid

CAS: 221006-71-9

Formula: C7H8BBrO2

SMILES: CC1=CC(Br)=CC=C1B(O)O

IUPAC: (4-bromo-2-methylphenyl)boronic acid

InChI: InChI=1S/C7H8BBrO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,10-11H,1H3

Composition: C (39.13%), H (3.75%), B (5.03%), Br (37.19%), O (14.89%)

Molar Mass: 214.85

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.980072
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BEQUDVVISBTSHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.27
Topological Polar Surface Area	40.46
Polarizability	18.12
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	221006-71-9		$13.87-$68.09$13.87$22.70$68.09